Dear users, When analyzing some of the simulations; I get 312 K, 310 K or 308 K instead of 300K (the t_ref value for the whole system). 1. What is the reason for the increase of temperature? For example it can be cutoff artifacts. What else can be? 2. To get the the error small tau_t can be reduced. What is the minimum value for tau_t?
Sometimes, the pressure in the output files is high ( 7 bar, 6 bar or 1.5 bar instead of 1 bar). I.The reason for this? II. tau_p can be reduced as temperature. And what is the minimum value for tau_p? Briefly, what could be the reasons for the increase in temperature or pressure? What are your suggestions for the solution? Thanks in advance -- Ahmet Yıldırım -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
